11-[3-[3-[4-[3,4-Dihydroxy-5-(3-hydroxy-2-methylbutanoyl)oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyl-3-(2-methylbutanoyloxy)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid
| Internal ID | 2c2272b8-87e9-4e8d-b56c-55e119a205ad |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | 11-[3-[3-[4-[3,4-dihydroxy-5-(3-hydroxy-2-methylbutanoyl)oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyl-3-(2-methylbutanoyloxy)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C50H88O23/c1-9-11-17-20-30(21-18-15-13-12-14-16-19-22-32(53)54)67-48-42(36(58)33(55)27(6)64-48)72-49-43(37(59)35(57)31(23-51)68-49)73-50-44(70-45(62)24(3)10-2)41(34(56)28(7)65-50)71-47-39(61)38(60)40(29(8)66-47)69-46(63)25(4)26(5)52/h24-31,33-44,47-52,55-61H,9-23H2,1-8H3,(H,53,54) |
| InChI Key | GGLXFAOQRHVKKS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C50H88O23 |
| Molecular Weight | 1057.20 g/mol |
| Exact Mass | 1056.57163905 g/mol |
| Topological Polar Surface Area (TPSA) | 346.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 11-[3-[3-[4-[3,4-Dihydroxy-5-(3-hydroxy-2-methylbutanoyl)oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyl-3-(2-methylbutanoyloxy)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/bec7b140-8655-11ee-9566-dd017ef9dcce.jpg "2D Structure of 11-[3-[3-[4-[3,4-Dihydroxy-5-(3-hydroxy-2-methylbutanoyl)oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyl-3-(2-methylbutanoyloxy)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.45% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.00% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.69% | 96.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.58% | 85.94% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 94.56% | 92.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.42% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.98% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.37% | 97.29% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.71% | 97.36% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.55% | 98.03% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.07% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.41% | 96.47% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.83% | 92.08% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.93% | 95.89% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 86.55% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.22% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.87% | 100.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 84.98% | 97.06% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.43% | 91.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.06% | 91.19% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.76% | 98.10% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 82.66% | 97.86% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.59% | 92.32% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.50% | 94.73% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.45% | 96.90% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.15% | 86.33% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.66% | 83.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.11% | 97.79% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.59% | 95.17% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.42% | 82.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Ipomoea orizabensis |
| PubChem | 162890316 |
| LOTUS | LTS0118348 |
| wikiData | Q105008181 |